Spektraris NMR
Baiyunol
Common Name: Baiyunol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14-5-8-17-19(2,3)18(21)9-11-20(17,4)16(14)7-6-15-10-12-22-13-15/h10,12-13,17-18,21H,5-9,11H2,1-4H3/t17-,18-,20+/m0/s1
InChIKey: InChIKey=AETQKLIUKSESEY-CMKODMSKSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 35.5 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.1 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 34.1 |
| 8 (C) | 126.6 |
| 9 (C) | 140.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 26.1 |
| 13 (C) | 126.1 |
| 14 (CH) | 111.4 |
| 15 (CH) | 143.3 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 19.2 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 20.3 |
